Geometry & MOs

Info

ID:	388574
PubChem CID:	134989535
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	282.065887
ΔH_f, kcal/mol:	26.08
Dipole, Da:	2.52
IP(EA), eV:	-8.01(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(acetyloxymethyl)-3-(4-chlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)N(C1=NC=CC=CN1)C(C)C

DOS

IR

Vibrations